Common name
N-methylaniline
IUPAC name
N-methylaniline
SMILES
CNc1ccccc1
Common name
N-methylaniline
IUPAC name
N-methylaniline
SMILES
CNc1ccccc1
INCHI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
FORMULA
C7H9N
Common name
N-methylaniline
IUPAC name
N-methylaniline
Molecular weight
107.153
clogP
1.572
clogS
-2.011
Frequency
0.0076
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02791 | methyldymron |
|
Herbicide | Herbicide |
| FDBD02967 | aureofungin |
|
Fungicide | Fungicide |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k3h_ligand_1_3.mol2 | 4k3h | 1 | -7.00 | c1ccc(cc1)N(C)C | 9 |
| 3fui_ligand_2_12.mol2 | 3fui | 1 | -6.99 | c1ccc(cc1)NC | 8 |
| 4k3h_ligand_1_4.mol2 | 4k3h | 1 | -6.96 | c1ccc(cc1)N(C)C | 9 |
| 3ftw_ligand_2_1.mol2 | 3ftw | 1 | -6.93 | c1ccccc1NC | 8 |
| 3ftv_ligand_2_1.mol2 | 3ftv | 1 | -6.92 | c1ccccc1NC | 8 |
| 2hz0_ligand_2_25.mol2 | 2hz0 | 1 | -6.89 | CNc1ccccc1 | 8 |
| 5ew3_ligand_2_12.mol2 | 5ew3 | 1 | -6.83 | c1ccc(cc1)NC | 8 |
| 3hng_ligand_2_7.mol2 | 3hng | 1 | -6.82 | c1c(cccc1)NC | 8 |
| 4kmz_ligand_2_6.mol2 | 4kmz | 1 | -6.72 | N(c1ccccc1)C | 8 |
120 ,
13
